Information card for entry 7123103

Structure parameters

• Formula: C27 H19 N5
• Calculated formula: C27 H19 N5
• Title of publication: Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties
• Authors of publication: Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.7931 ± 0.0003 Å
• b: 10.0013 ± 0.0004 Å
• c: 10.8744 ± 0.0004 Å
• α: 95.079 ± 0.002°
• β: 90.283 ± 0.001°
• γ: 100.401 ± 0.001°
• Cell volume: 1043.23 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No